NCID-ZINC01575049
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  0  0  0  0  0  0999 V2000
    0.0500    1.5210   -0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0290   -0.0020   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7520   -0.5270    1.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4810   -0.4700    0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    0.2260    0.5940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720   -1.8490   -0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2420   -2.2350   -0.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5520   -3.6140   -1.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5730   -4.2590   -1.4670 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0850    1.8500   -0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5400    1.8960   -0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370    1.9920    0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4020   -0.4080   -0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7990   -0.2080    1.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240   -0.1650    2.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7360   -1.6210    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4490   -1.8480   -1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1620   -2.5770    0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5670   -2.2270    0.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8520   -1.4940   -0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7720   -3.9410   -0.9410 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
M  CHG  1  21  -1
M  END